Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50368318'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50368318 (CHEMBL1790445) Show SMILES [#6]-[#6@@H](-[#8])-[#6@@H]-1-[#7]-c2cccc(-[#6]-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)-[#6](-[#8])=O)c2 Show InChI InChI=1S/C27H40N8O9S/c1-14(36)22-25(42)34-17(6-3-8-30-27(28)29)23(40)31-12-20(37)33-18(11-21(38)39)24(41)35-19(26(43)44)13-45-9-7-15-4-2-5-16(10-15)32-22/h2,4-5,10,14,17-19,22,32,36H,3,6-9,11-13H2,1H3,(H,31,40)(H,33,37)(H,34,42)(H,35,41)(H,38,39)(H,43,44)(H4,28,29,30)/t14-,17+,18+,19+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description The compound was tested for the inhibition of fibrinogen receptor				J Med Chem 35: 2040-8 (1992) BindingDB Entry DOI: 10.7270/Q2S1833Q
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50368318 (CHEMBL1790445) Show SMILES [#6]-[#6@@H](-[#8])-[#6@@H]-1-[#7]-c2cccc(-[#6]-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O)-[#6](-[#8])=O)c2 Show InChI InChI=1S/C27H40N8O9S/c1-14(36)22-25(42)34-17(6-3-8-30-27(28)29)23(40)31-12-20(37)33-18(11-21(38)39)24(41)35-19(26(43)44)13-45-9-7-15-4-2-5-16(10-15)32-22/h2,4-5,10,14,17-19,22,32,36H,3,6-9,11-13H2,1H3,(H,31,40)(H,33,37)(H,34,42)(H,35,41)(H,38,39)(H,43,44)(H4,28,29,30)/t14-,17+,18+,19+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma				J Med Chem 35: 2040-8 (1992) BindingDB Entry DOI: 10.7270/Q2S1833Q
					More data for this Ligand-Target Pair